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88571-25-9 | Carbonic acid, 2-bromoethyl hexyl ester
CAS No: 88571-25-9 Catalog No: AG004BVQ MDL No:
Product Description
Catalog Number:
AG004BVQ
Chemical Name:
Carbonic acid, 2-bromoethyl hexyl ester
CAS Number:
88571-25-9
Molecular Formula:
C9H17BrO3
Molecular Weight:
253.1335
IUPAC Name:
2-bromoethyl hexyl carbonate
InChI:
InChI=1S/C9H17BrO3/c1-2-3-4-5-7-12-9(11)13-8-6-10/h2-8H2,1H3
InChI Key:
YDNMTAFQTBJQNJ-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)OCCBr
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.136g/mol
Monoisotopic Mass:
252.036g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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